[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate

C22H18N4O6 — CID 576626

IUPAC[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ONC(=O)c1ccc(C(=O)NOC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18N4O6/c27-19(25-31-21(29)23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(28)26-32-22(30)24-18-9-5-2-6-10-18/h1-14H,(H,23,29)(H,24,30)(H,25,27)(H,26,28)
InChIKeyLNQTXNUQMUSJDU-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.47
Rot. Bonds4

About [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate

[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate (PubChem CID 576626) has the molecular formula C22H18N4O6 and a molecular weight of 434.41 g/mol. Its IUPAC name is [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate.

Molecular Properties

Compound Name[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate
PubChem CID576626
Molecular FormulaC22H18N4O6
Molecular Weight434.41 g/mol
Exact Mass434.12
IUPAC Name[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)ONC(=O)c1ccc(C(=O)NOC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18N4O6/c27-19(25-31-21(29)23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(28)26-32-22(30)24-18-9-5-2-6-10-18/h1-14H,(H,23,29)(H,24,30)(H,25,27)(H,26,28)
InChIKeyLNQTXNUQMUSJDU-UHFFFAOYSA-N
XLogP3.47
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzamido N-(4-chlorophenyl)carbamate
CID 134110176
N-methoxy-4-(phenylcarbamoylamino)benzamide
CID 33101054
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
molecular hydrogen;N-phenylbenzamide
CID 145238042
4-(phenylcarbamoyl)benzoate
CID 158012761
benzamido acetate;ethane
CID 91379738
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
8-(phenylcarbamoyloxy)octa-3,5-diynyl N-phenylcarbamate
CID 15528686
[(4-nitrobenzoyl)amino] (Z)-3-anilinobut-2-enoate
CID 18530201

Frequently Asked Questions

What is the IUPAC name of [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate?
The IUPAC name of [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate (CID 576626) is [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate.
What is the SMILES notation for [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate?
The canonical SMILES for [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate is O=C(Nc1ccccc1)ONC(=O)c1ccc(C(=O)NOC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate?
The InChIKey is LNQTXNUQMUSJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O6/c27-19(25-31-21(29)23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(28)26-32-22(30)24-18-9-5-2-6-10-18/h1-14H,(H,23,29)(H,24,30)(H,25,27)(H,26,28).
What are the key properties of [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate?
[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate has a molecular weight of 434.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate is sourced from PubChem (CID 576626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).